Accept "None" as an option

globus-labs · Oct 3, 2023 · 603cc3a · 603cc3a
1 parent 865cd71
commit 603cc3a
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/jitterbug/utils.py b/jitterbug/utils.py
@@ -29,7 +29,7 @@ def make_calculator(method: str, basis: Optional[str], **kwargs) -> Calculator:
     """
 
     if method in mopac_methods:
-        if basis is not None:
+        if not (basis is None or basis == "None"):
             raise ValueError(f'Basis must be none for method: {method}')
         return MOPAC(method=method, command='mopac PREFIX.mop > /dev/null')
     else: